부산대학교 도서관

Phillip S. Hudson; Félix Aviat; Rubén Meana-Pañeda; Luke Warrensford; Benjamin C. Pollard; Samarjeet Prasad; Michael R. Jones; H. Lee Woodcock; Bernard R. Brooks

J Comput Aided Mol Des

Meana-Pañeda, Rubén ; Zheng, Jingjing ; Bao, Junwei Lucas ; Zhang, Shuxia ; Lynch, Benjamin J. ; Corchado, José C. ; Chuang, Yao-Yuan ; Fast, Patton L. ; Hu, Wei-Ping ; Liu, Yi-Ping ; Lynch, Gillian C. ; Nguyen, Kiet A. ; Jackels, Charles F. ; Fernández-Ramos, Antonio ; Ellingson, Benjamin A. ; Melissas, Vasilios S. ; Villà, Jordi ; Rossi, Ivan ; Coitiño, Elena L. ; Pu, Jingzhi ; Albu, Titus V. ; Zhang, Rui Ming ; Xu, Xuefei ; Ratkiewicz, Artur ; Steckler, Rozeanne ; Garrett, Bruce C. ; Isaacson, Alan D. ; Truhlar, Donald G.

In Computer Physics Communications January 2024 294

Mahdi Ghorbani; Phillip S. Hudson; Michael R. Jones; Félix Aviat; Rubén Meana-Pañeda; Jeffery B. Klauda; Bernard R. Brooks

J Comput Aided Mol Des

Samarjeet Prasad; Andrew C. Simmonett; Rubén Meana‐Pañeda; Bernard R. Brooks

Journal of Computational Chemistry. 42:1373-1383

Kang S; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Department of Chemistry, University of Chicago, Chicago, IL, USA.; Kim J; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Kim S; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA.; Chun H; Department of Chemical and Biomolecular Engineering, Yonsei University, Seoul, Republic of Korea.; Heo J; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Reboul CF; National Cancer Institute (NCI), National Institutes of Health (NIH), Frederick, MD, USA.; Meana-Pañeda R; National Cancer Institute (NCI), National Institutes of Health (NIH), Frederick, MD, USA.; Van CTS; National Cancer Institute (NCI), National Institutes of Health (NIH), Frederick, MD, USA.; Choi H; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Lee Y; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Rhee J; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Lee M; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Kang D; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Kim BH; Department of Material Science and Engineering, Soongsil University, Seoul, Republic of Korea.; Hyeon T; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea.; Han B; Department of Chemical and Biomolecular Engineering, Yonsei University, Seoul, Republic of Korea. bchan@yonsei.ac.kr.; Ercius P; Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA, USA. percius@lbl.gov.; Lee WC; Department of Mechanical Engineering, BK21 FOUR ERICA-ACE Center, Hanyang University, Ansan, Republic of Korea. wonchullee@hangyang.ac.kr.; Elmlund H; National Cancer Institute (NCI), National Institutes of Health (NIH), Frederick, MD, USA. hans.elmlund@nih.gov.; Park J; School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea. jungwonpark@snu.ac.kr.; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul, Republic of Korea. jungwonpark@snu.ac.kr.; Institute of Engineering Research, College of Engineering, Seoul National University, Seoul, Republic of Korea. jungwonpark@snu.ac.kr.; Advanced Institute of Convergence Technology, Seoul National University, Suwon, Republic of Korea. jungwonpark@snu.ac.kr.; Hyundai Motor Group-Seoul National University (HMG-SNU) Joint Battery Research Center (JBRC), Seoul National University, Seoul, Republic of Korea. jungwonpark@snu.ac.kr.

Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE; PubMed not MEDLINE

Meana-Pañeda R; Center for Structural Biology, Center for Cancer Research, National Cancer Institute, Frederick, MD 21702, USA.; Ji C; Center for Structural Biology, Center for Cancer Research, National Cancer Institute, Frederick, MD 21702, USA.; Department of Mathematics, University of Maryland, College Park, MD 20742-4015, USA.; Van CTS; Center for Structural Biology, Center for Cancer Research, National Cancer Institute, Frederick, MD 21702, USA.; Reboul CF; Center for Structural Biology, Center for Cancer Research, National Cancer Institute, Frederick, MD 21702, USA.; Kang S; Department of Chemistry, University of Chicago, Chicago, IL 60637, USA.; Kim S; Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA.; Rhee J; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul 08826, Republic of Korea.; School of Chemical and Biological Engineering, Institute of Chemical Process, Seoul National University, Seoul 08826, Republic of Korea.; Lee Y; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul 08826, Republic of Korea.; School of Chemical and Biological Engineering, Institute of Chemical Process, Seoul National University, Seoul 08826, Republic of Korea.; Ercius P; National Center for Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 USA.; Czaja W; Department of Mathematics, University of Maryland, College Park, MD 20742-4015, USA.; Park J; Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul 08826, Republic of Korea.; School of Chemical and Biological Engineering, Institute of Chemical Process, Seoul National University, Seoul 08826, Republic of Korea.; Institute of Engineering Research, College of Engineering, Seoul National University, Seoul 08826, Republic of Korea.; Advanced Institute of Convergence Technology, Seoul National University, Suwon-si, Gyeonggi-do 16229, Republic of Korea.; Elmlund H; Center for Structural Biology, Center for Cancer Research, National Cancer Institute, Frederick, MD 21702, USA.

Publisher: American Association for the Advancement of Science Country of Publication: United States NLM ID: 101653440 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2375-2548 (Electronic) Linking ISSN: 23752548 NLM ISO Abbreviation: Sci Adv Subsets: MEDLINE; PubMed not MEDLINE

Van CTS; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Reboul CF; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Caesar JJE; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Meana-Pañeda R; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Lountos GT; Basic Science Program, Frederick National Laboratory for Cancer Research, Frederick, MD 21701, USA.; Deme JC; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Bryant OJ; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Johnson S; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Piczak CT; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Valkov E; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.; Lea SM; Structural Biology, St Jude Children's Research Hospital, 262 Danny Thomas Place, Memphis, TN 38105, USA.; Elmlund H; National Cancer Institute, National Institutes of Health, Bethesda, MD 21701, USA.

Publisher: John Wiley & Sons Country of Publication: United States NLM ID: 101676043 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2059-7983 (Electronic) Linking ISSN: 20597983 NLM ISO Abbreviation: Acta Crystallogr D Struct Biol Subsets: MEDLINE

Shu, Yinan ; Zhang, Linyao ; Truhlar, Donald G.

In Computer Physics Communications March 2024 296

Meana-Pañeda, Rubén; Yang, Ke R.; Truhlar, Donald G.; Jalan, Amrit; Alecu, Ionut M; Aguilera Iparraguirre, Jorge; Merchant, Shamel S.; Green, William H

Journal of the American Chemical Society. 135:11100-11114

Zhang, Rui Ming ; Xu, Xuefei ; Truhlar, Donald G.

In Computer Physics Communications December 2023 293

Wietfeldt, H.; Meana-Pañeda, R.; Reboul, C.F.; Van, C.T.S.; Elmlund, H.; Machello, C.; Kim, S.; Heo, J.; Kang, S.; Park, J.; Kim, B.H.; Ercius, P.

In: Communications Chemistry. (Communications Chemistry, December 2024, 7(1))

Chen, Wenqi ; Zheng, Jingjing ; Bao, Junwei Lucas ; Truhlar, Donald G. ; Xu, Xuefei

In Computer Physics Communications July 2023 288

Varga Z; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Meana-Pañeda R; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Song G; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Paukku Y; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Truhlar DG; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.

Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

Laurino P; Department of Biological Chemistry, Weizmann Institute of Science, Rehovot, Israel.; Tóth-Petróczy Á; Department of Biological Chemistry, Weizmann Institute of Science, Rehovot, Israel.; Meana-Pañeda R; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota, United States of America.; Lin W; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota, United States of America.; Truhlar DG; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota, United States of America.; Tawfik DS; Department of Biological Chemistry, Weizmann Institute of Science, Rehovot, Israel.

Publisher: Public Library of Science Country of Publication: United States NLM ID: 101183755 Publication Model: eCollection Cited Medium: Internet ISSN: 1545-7885 (Electronic) Linking ISSN: 15449173 NLM ISO Abbreviation: PLoS Biol Subsets: MEDLINE

Shu Y; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Kryven J; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Sampaio de Oliveira-Filho AG; Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA.; Zhang L; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Song GL; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Li SL; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Meana-Pañeda R; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Fu B; Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA.; Bowman JM; Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA.; Truhlar DG; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.

Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

Simón-Carballido L; Center for Research in Biological Chemistry and Molecular Materials (CIQUS) and Department of Physical Chemistry, University of Santiago de Compostela , 15782 Santiago de Compostela, Spain.; Bao JL; Department of Chemistry, University of Minnesota , 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States.; Alves TV; Departamento de Físico-Química, Instituto de Química, Universidade Federal da Bahia , Rua Barão de Jeremoabo, 147, Salvador, Bahia 40170-115, Brazil.; Meana-Pañeda R; Department of Chemistry, University of Minnesota , 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States.; Laboratory of Computational Biology, NHLBI, National Institutes of Health, 5635 Fishers Lane, Suite T-906, Rockville, Maryland 20852, United States.; Truhlar DG; Department of Chemistry, University of Minnesota , 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States.; Fernández-Ramos A; Center for Research in Biological Chemistry and Molecular Materials (CIQUS) and Department of Physical Chemistry, University of Santiago de Compostela , 15782 Santiago de Compostela, Spain.

Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: PubMed not MEDLINE

Jalan, Amrit; Alecu, Ionut M.; Meana-Pañeda, Rubén; Aguilera-Iparraguirre, Jorge; Yang, Ke R.; Merchant, Shamel S.; Truhlar, Donald G.; Green, William H.

Journal of the American Chemical Society. 7/31/2013, Vol. 135 Issue 30, p11100-11114. 15p.

Meana-Pañeda R; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota , Minneapolis, Minnesota 55455-0431, United States.; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States.; Xu X; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota , Minneapolis, Minnesota 55455-0431, United States.; Center for Combustion Energy and Department of Thermal Engineering, Tsinghua University , Beijing 100084, PR China.; Ma H; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota , Minneapolis, Minnesota 55455-0431, United States.; Truhlar DG; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota , Minneapolis, Minnesota 55455-0431, United States.

Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: PubMed not MEDLINE

Lin W; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Meana-Pañeda R; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Varga Z; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.; Truhlar DG; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA.

Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

Lago-Santomé H; Departments of Organic Chemistry and Physical Chemistry, University of Santiago de Compostela , Campus Vida s/n, 15782 Santiago de Compostela, A Coruña, Spain.; Meana-Pañeda R; Alonso R

Publisher: American Chemical Society Country of Publication: United States NLM ID: 2985193R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6904 (Electronic) Linking ISSN: 00223263 NLM ISO Abbreviation: J Org Chem Subsets: MEDLINE